Alanine, 3-cyano-

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Names

[ CAS No. ]:
923-01-3

[ Name ]:
Alanine, 3-cyano-

[Synonym ]:
BCNA
ALANINE,3-CYANO
propargylglycine
3-Cyanoalanine

Chemical & Physical Properties

[ Density]:
1.317g/cm3

[ Boiling Point ]:
368.1ºC at 760mmHg

[ Molecular Formula ]:
C4H6N2O2

[ Molecular Weight ]:
114.10300

[ Flash Point ]:
176.4ºC

[ Exact Mass ]:
114.04300

[ PSA ]:
87.11000

[ LogP ]:
0.01228

[ Index of Refraction ]:
1.501

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AY4520000
CHEMICAL NAME :
Alanine, 3-cyano-
CAS REGISTRY NUMBER :
923-01-3
LAST UPDATED :
199509
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C4-H6-N2-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
134 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 16,2309,1967 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16800 mg/kg/8W-C
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes in urine composition Related to Chronic Data - death
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 16,2309,1967

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • Alanine, 3-cyano-2-methyl- (9CI)
  • D-Alanine, 3-cyano-2-methyl- (9CI)
  • Alanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI)
  • 3-cyano-L-alanine
  • Alanine, N-acetyl-3-cyano-, methyl ester (9CI)
  • Alanine,3-[(2-boronoethyl)thio]- (7CI)
  • 4-Methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
  • 5-Bromo-2-(1-methylsulfonylcyclobutyl)-1,3-thiazole
  • 1S-epi-Ticagrelor
  • tert-butyl 4-[[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]amino]methyl]-4-hydroxy-piperidine-1-carboxylate
  • [6-[(1-cyclobutyl-4-piperidylidene)methyl]-3-pyridyl]methanol
  • Tert-butyl 5-hydroxy-2-methylazepane-1-carboxylate
  • 4-(3-Hydroxy-1-oxo-2-buten-1-yl)phenyl 2-propenoate
  • 7-(4-Chlorophenyl)-1,2,3,4-tetrahydroisoquinoline
  • 2-Methyl-6-(m-tolyloxy)pyridin-3-amine
  • Tert-butyl 3-(4-cyclopentylphenoxy)azetidine-1-carboxylate
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